1005 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 15 8 8 8 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 2 3 4 6 6 7 8 8 10 10 2 3 4 5 8 13 14 9 15 9 9 10 11 12 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 3.403 4.269 2.5369 2.903 3.903 6.8671 6.001 5.135 6.001 5.135 4.5981 5.672 2 3.213 7.404 -0.25 0.25 -0.75 0.616 -1.116 -0.25 1.25 -0.25 0.25 -1.25 -1.56 -1.56 -0.44 1.153 0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 0000037180403802000000000000000000000000000000000000000000000000000000000000001A00000820000804808000000800000310884000D208820000000000000000004000400104000000000000000000000110800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2-phosphonooxyprop-2-enoic acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-phosphonooxy-2-propenoic acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2-phosphonooxyprop-2-enoic acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2-phosphonooxyprop-2-enoic acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2-phosphonooxyacrylic acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 DTBNBXWJWCWCIK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -1.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 167.982375 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C3H5O6P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 168.041962 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C=C(C(=O)O)OP(=O)(O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C=C(C(=O)O)OP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 104 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 167.982375 10 0 0 0 0 0 0 0 1 1